SCHEMBL1989447

SCHEMBL1989447

O=C(O)N(CCc1ccc([N+](=O)[O-])cc1)CC(O)CO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KCNH2 Q12809 6/20 0.48
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
MC4R P32245 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7009713 0.82 MEN1 (0.58) KCNH2GAALMNAMEN1KMT2A
SCHEMBL7009709 0.82 MEN1 (0.58) KCNH2GAALMNAMEN1KMT2A
SCHEMBL1993401 0.82 KCNH2 (0.47) TSHRKCNH2GAAALDH1A1
SCHEMBL6618592 0.82 MEN1 (0.48) TSHRKCNH2CRHBPCRHR2LMNA
SCHEMBL6618598 0.82 MEN1 (0.48) TSHRKCNH2CRHBPCRHR2LMNA
SCHEMBL20380500 0.82 CRHBP (0.59) TSHRKCNH2CRHBPCRHR2LMNA
SCHEMBL29254204 0.78 CRHBP (0.46) TSHRCRHBPCRHR2GAALMNA
SCHEMBL29254207 0.78 CRHBP (0.46) TSHRCRHBPCRHR2GAALMNA
SCHEMBL14894125 0.77 KCNH2 (0.51) TSHRKCNH2CRHBPCRHR2MEN1
SCHEMBL16107476 0.76 ALDH1A1 (0.51) TSHRKCNH2CRHBPCRHR2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TSHR 15/4885KCNH2 557/4885CRHBP 1719/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TSHR 15/4885KCNH2 557/4885CRHBP 1719/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TSHR 15/4885KCNH2 557/4885CRHBP 1719/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TSHR 15/4885KCNH2 557/4885CRHBP 1719/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R TSHR 15/4885KCNH2 557/4885CRHBP 1719/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.